3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide

C15H22FN3O3S — CID 155873897

IUPAC3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)C1
InChIInChI=1S/C15H22FN3O3S/c1-3-9-23(21,22)19-8-7-15(11-19,14(20)17-2)18-13-6-4-5-12(16)10-13/h4-6,10,18H,3,7-9,11H2,1-2H3,(H,17,20)
InChIKeyITOAFIUOGUPUJI-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.17
Rot. Bonds6

About 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide

3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide (PubChem CID 155873897) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
PubChem CID155873897
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Name3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)C1
InChIInChI=1S/C15H22FN3O3S/c1-3-9-23(21,22)19-8-7-15(11-19,14(20)17-2)18-13-6-4-5-12(16)10-13/h4-6,10,18H,3,7-9,11H2,1-2H3,(H,17,20)
InChIKeyITOAFIUOGUPUJI-UHFFFAOYSA-N
XLogP1.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 155873216
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
3-(3-fluoroanilino)-N-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxamide
CID 155872984
3-(3-fluoroanilino)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 171697164
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide (CID 155873897) is 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide is CCCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)C1.
What is the InChIKey of 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is ITOAFIUOGUPUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-3-9-23(21,22)19-8-7-15(11-19,14(20)17-2)18-13-6-4-5-12(16)10-13/h4-6,10,18H,3,7-9,11H2,1-2H3,(H,17,20).
What are the key properties of 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide?
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155873897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).